4-[(2S)-2-azanyl-3-oxidanylidene-3-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]benzamide

Systemtic Name: 4-[(2S)-2-azanyl-3-oxidanylidene-3-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]benzamide Openeye Name: 4-[(2S)-2-amino-3-oxo-3-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]benzamide CAS Name: 4-[(2S)-2-amino-3-oxo-3-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]benzamide IUPAC Name: 4-[(2S)-2-amino-3-oxo-3-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]benzamide Traditional Name: 4-[(2S)-2-amino-3-keto-3-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]benzamide Formula: C28H27N5O2 MolecularWeight: 465.54628

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C(CC3=CC=C(C=C3)C(=O)N)N)C4=NC=C(N4)C5=CC=CC=C5

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)[C@H](CC3=CC=C(C=C3)C(=O)N)N)C4=NC=C(N4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N5O2/c29-23(14-18-10-12-20(13-11-18)26(30)34)28(35)33-17-22-9-5-4-8-21(22)15-25(33)27-31-16-24(32-27)19-6-2-1-3-7-19/h1-13,16,23,25H,14-15,17,29H2,(H2,30,34)(H,31,32)/t23-,25-/m0/s1